Related papers: Pressure-induced s-band ferromagnetism in alkali m…
Recent high-pressure x-ray diffraction studies of alkali metals revealed unusual complex structures that follow the body-centered and face-centered cubic structures on compression. The structural sequence of potassium under compression to 1…
Elements of group I in the Periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc types,…
Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but,…
Metallic ferromagnetism is in general an intermediate to strong coupling phenomenon. Since there do not exist systematic analytic methods to investigate such types of problems, the microscopic origin of metallic ferromagnetism is still not…
We calculated the superconductivity properties of alkali metals under high pressure using the results of band theory and the rigid-muffin-tin theory of Gaspari and Gyorffy. Our results suggest that at high pressures Lithium, Potassium,…
We investigate the behavior of weak ferromagnetic metals close to the ferromagnetic critical point. We show that in the limit of small magnetic moment the low temperature metallic phase is rigorously described by a local ferromagnetic Fermi…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
In the band theory of ferromagnetism there is a relative shift in the position of majority and minority spin bands due to the self-consistent field due to opposite spin electrons. In the simplest realization, the Stoner model, the majority…
Alkali metals exhibit unexpected structures and electronic behavior at high pressures. Compression of metallic sodium (Na) to 200 GPa leads to the stability of a wide-band-gap insulator with the double hexagonal hP4 structure. Post-hP4…
Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…
A Hubbard model with a single, partially flat band has ferromagnetic ground states. It is shown that local stability of ferromagnetism implies its global stability in such a model: The model has only ferromagnetic ground states if there are…
We consider a low-temperature plasma within a newly developed MHD Fluid model. In addition to the standard terms, the electron spin, quantum particle dispersion and degeneracy effects are included. It turns out that the electron spin…
Extreme pressure strongly affects the superconducting properties of ``simple'' elemental metals, like Li, K and Al. Pressure induces superconductivity in Li (as high as 17 K), while suppressing it in Al. We report first-principles…
Binary hydrides formed by the pnictogens of phosphorus, arsenic and antimony are studied at high pressures using first principles methods. Stable structures are predicted and their electronic, vibrational and superconducting properties are…
We study the electronic and lattice dynamical properties of compressed solid germane in the pressure range up to 200 GPa with density functional theory. A stable metallic structure, Aba2, with a base-centered orthorhombic symmetry was found…
Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride Y$_2$C is a weak itinerant ferromagnet or at least close to a ferromagnetic instability. The ferromagnetism is induced by the…
We argue that an ionic lattice surrounded by a Fermi liquid changes phase several times under pressure, oscillating between the symmetric phase and a low-symmetry dimerized structure, as a consequence of Friedel oscillations in the pair…
We report the temperature ($T$) dependence of ferromagnetic Bragg peak intensities and dc magnetization of the superconducting ferromagnet UGe2 under pressure ($P$). We have found that the low-$T$ behavior of the uniform magnetization can…
The conditions under which ferromagnetism may occur in transition metal oxides with partially filled $t_{2g}$ shells such as vanadium-based perovskites are studied using a combination of density functional and single-site dynamical mean…
Group I elements - alkali metals Li, Na, K, Rb and Cs - are examples of simple metals with one s electron in the valence band. Under pressure these elements display unusually complex structural behaviour transforming from close-packed to…